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Timestamp:
09/06/10 16:52:23 (21 months ago)
Author:
farhi
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data: corrected unit cell definition w.r.t chemical formula, which effects cross sections in PowderN, Single X, Isotropic Sqw

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  • trunk/nlib/data/Fe.laz

    r2012 r2925  
    1 # TITLE *Iron-Fe-[IM3-M] Swanson, H.E.;Tatge, E.[1954] [alpha phase] 
     1# TITLE *Iron-Fe-[IM3-M] Swanson, H.E.;Tatge, E.[1954] [Iron alpha phase] 
    22# CELL 2.886000 2.886000 2.886000 90.000000 90.000000 90.000000 
    33# SPCGRP I M 3 M   CUBIC STRUCTURE 
    … …  
    77# 
    88# Physical parameters: 
    9 # sigma_coh 11.22   coherent scattering cross section in [barn] 
    10 # sigma_inc 0.4     incoherent scattering cross section in [barn] 
    11 # sigma_abs 2.56    absorption scattering cross section in [barn] 
     9# sigma_coh 11.22   coherent scattering cross section (single atom) in [barn] 
     10# sigma_inc 0.4     incoherent scattering cross section (single atom) in [barn] 
     11# sigma_abs 2.56    absorption scattering cross section (single atom) in [barn] 
    1212# density   7.87    in [g/cm^3] 
    13 # weight    55.84   in [g/mol] 
    14 # nb_atoms  2       in [atoms/unit cell] 
     13# weight    55.84   in [g/mol] (single atom) 
     14# multiplicity 2    in [atoms/unit cell] 
     15# Vc        24.04   volume of unit cell in [A^3] 
    1516# v_sound   4910    in [m/s] 
    1617# v_sound_l 4994    velocity of longitudinal sound in [m/s]